dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

C16H19NO5S — CID 2291270

IUPACdimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccsc2)C(C(=O)OC)=C1
InChIInChI=1S/C16H19NO5S/c1-20-6-5-17-8-12(15(18)21-2)14(11-4-7-23-10-11)13(9-17)16(19)22-3/h4,7-10,14H,5-6H2,1-3H3
InChIKeyGLGKSBYILDBOHZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.91
Rot. Bonds6

About dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 2291270) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID2291270
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namedimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccsc2)C(C(=O)OC)=C1
InChIInChI=1S/C16H19NO5S/c1-20-6-5-17-8-12(15(18)21-2)14(11-4-7-23-10-11)13(9-17)16(19)22-3/h4,7-10,14H,5-6H2,1-3H3
InChIKeyGLGKSBYILDBOHZ-UHFFFAOYSA-N
XLogP1.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (CID 2291270) is dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is COCCN1C=C(C(=O)OC)C(c2ccsc2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is GLGKSBYILDBOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-20-6-5-17-8-12(15(18)21-2)14(11-4-7-23-10-11)13(9-17)16(19)22-3/h4,7-10,14H,5-6H2,1-3H3.
What are the key properties of dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(2-methoxyethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2291270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).